1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine

C16H28N2O2 — CID 43269486

IUPAC1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
SMILESCCCN(CC(N)c1ccc(OC)cc1OC)C(C)C
InChIInChI=1S/C16H28N2O2/c1-6-9-18(12(2)3)11-15(17)14-8-7-13(19-4)10-16(14)20-5/h7-8,10,12,15H,6,9,11,17H2,1-5H3
InChIKeyPYHUEBPLAAQAOI-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.82
Rot. Bonds8

About 1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine

1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine (PubChem CID 43269486) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
PubChem CID43269486
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
SMILESCCCN(CC(N)c1ccc(OC)cc1OC)C(C)C
InChIInChI=1S/C16H28N2O2/c1-6-9-18(12(2)3)11-15(17)14-8-7-13(19-4)10-16(14)20-5/h7-8,10,12,15H,6,9,11,17H2,1-5H3
InChIKeyPYHUEBPLAAQAOI-UHFFFAOYSA-N
XLogP2.82
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453473
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
2-(2-butoxyethoxy)-1-(2,4-dimethoxyphenyl)ethanamine
CID 43127564
1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine
CID 107759657
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine
CID 82985587
(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312907

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine (CID 43269486) is 1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine is CCCN(CC(N)c1ccc(OC)cc1OC)C(C)C.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The InChIKey is PYHUEBPLAAQAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-9-18(12(2)3)11-15(17)14-8-7-13(19-4)10-16(14)20-5/h7-8,10,12,15H,6,9,11,17H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 43269486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).